Basic information
- CAS
69519-16-0- Standard SMILES
O=C(O)CCCNC(=O)n1cc(F)c(=O)[nH]c1=O- InChIKey
SRZFBVWHAXOYNE-UHFFFAOYSA-N- Molecular formula
- C9H10FN3O5
- Average molar mass
- 259.19 g/mol
- Monoisotopic mass
- 259.06044859
Overview
metabolite of 1-hexylcarbamoyl-5-fluorouracil; structure in first source
Names & identifiers
- Preferred name
- 1-(3-Carboxypropylcarbamoyl)-5-fluorouracil
- IUPAC
- 4-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid
- English name
- 1-(3-carboxypropylcarbamoyl)-5-fluorouracil
- Molecular weight
- 0
Names & synonyms
CPRFU69519-16-01-(3-Carboxypropylcarbamoyl)-5-fluorouracilDTXSID70219768RefChem:74291DTXCID201422594-(5-Fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-carboxamido)butanoic acid4-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acidSCHEMBL112396354-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carboxamido)butanoic acidButanoic acid, 4-(((5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)carbonyl)amino)-
Database identifiers
- CAS
69519-16-0- PubChem CID
- 129656
- DTXSID
DTXSID70219768- Nikkaji
- J606.489B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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